SCHEMBL7006508

SCHEMBL7006508

Nc1cc(-n2cc(C(=O)O)c(=O)c3cc(F)c(F)c(Cl)c32)c(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 8/20 0.54
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSP90AA1 P07900 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PIM1 P11309 2/20 0.45
TOP2A P11388 9/20 0.43
TOP2B Q02880 3/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7005195 0.92 TOP1 (0.53) TOP1CYP3A4CYP2C9ALDH1A1POLB
SCHEMBL7007269 0.92 TOP1 (0.51) TOP1CYP3A4CYP2C9ALDH1A1POLB
SCHEMBL7009300 0.91 CYP3A4 (0.50) TOP1CYP3A4CYP2C9ALDH1A1POLB
SCHEMBL7005286 0.90 TOP1 (0.52) TOP1CYP3A4CYP2C9ALDH1A1POLB
SCHEMBL7007852 0.90 TOP1 (0.52) TOP1CYP3A4CYP2C9ALDH1A1POLB
SCHEMBL7009143 0.90 TOP1 (0.57) TOP1CYP3A4CYP2C9ALDH1A1POLB
SCHEMBL6578587 0.89 TOP1 (0.54) TOP1CYP3A4CYP2C9ALDH1A1POLB
SCHEMBL7006319 0.89 TOP1 (0.47) TOP1CYP3A4CYP2C9ALDH1A1POLB
SCHEMBL7010330 0.89 TOP1 (0.52) TOP1CYP3A4CYP2C9ALDH1A1POLB
SCHEMBL19728759 0.88 TOP1 (0.50) TOP1CYP3A4CYP2C9ALDH1A1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945435-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2003-08-13 EP disclosed
EP-0787720-B1 PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KK (JP) 2003-07-16 EP disclosed
US-6136823-A BACTERICIDES OR VIRICIDES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
US-5994575-A Phenylenediamines and process for preparing the same WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
EP-0945435-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed
US-5910498-A NOVEL COMPOUNDS HAVING REDUCED CYTOTOXICITY, PHOTOTOXICITY; TREATING BACTERIAL AND VIRAL INFECTIONS WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1999-06-08 US disclosed
EP-0897909-A1 NOVEL PHENYLENEDIAMINES AND PROCESS FOR PREPARING THE SAME WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-02-24 EP disclosed
EP-0787720-A1 NOVEL PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-06 EP disclosed